5-azanyl-6-chloranyl-8-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 5-azanyl-6-chloranyl-8-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-6-chloro-8-[[1-(cyclopropylmethyl)-4-piperidyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-[[1-(cyclopropylmethyl)-4-piperidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-6-chloro-8-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-6-chloro-8-[[1-(cyclopropylmethyl)-4-piperidyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C19H25ClN2O4 MolecularWeight: 380.8658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CCC(CC2)CC3=CC(=C(C4=C3OCC(O4)C(=O)O)N)Cl

Isomeric SMILES

C1CC1CN2CCC(CC2)CC3=CC(=C(C4=C3OCC(O4)C(=O)O)N)Cl

InChI

InChI=1S/C19H25ClN2O4/c20-14-8-13(7-11-3-5-22(6-4-11)9-12-1-2-12)17-18(16(14)21)26-15(10-25-17)19(23)24/h8,11-12,15H,1-7,9-10,21H2,(H,23,24)